tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-(pyrrolidin-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 3-[[4-azanyl-4-oxidanylidene-2-(pyrrolidin-2-ylcarbonylamino)butanoyl]amino]-2-oxidanyl-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Openeye Name: tert-butyl 3-[[4-amino-4-oxo-2-(pyrrolidine-2-carbonylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate CAS Name: 3-[[4-amino-1,4-dioxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]butyl]amino]-2-hydroxy-1-(1-oxo-4-phenylbutyl)-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[4-amino-4-oxo-2-(pyrrolidine-2-carbonylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylate Traditional Name: 3-[[4-amino-4-keto-2-(prolylamino)butanoyl]amino]-2-hydroxy-1-(4-phenylbutanoyl)pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C28H41N5O7 MolecularWeight: 559.65444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3CCCN3)O

Isomeric SMILES

CC(C)(C)OC(=O)C1(C(CCN1C(=O)CCCC2=CC=CC=C2)NC(=O)C(CC(=O)N)NC(=O)C3CCCN3)O

InChI

InChI=1S/C28H41N5O7/c1-27(2,3)40-26(38)28(39)21(14-16-33(28)23(35)13-7-11-18-9-5-4-6-10-18)32-25(37)20(17-22(29)34)31-24(36)19-12-8-15-30-19/h4-6,9-10,19-21,30,39H,7-8,11-17H2,1-3H3,(H2,29,34)(H,31,36)(H,32,37)